SCHEMBL8695526

SCHEMBL8695526

O=c1ccc(-c2ccc(N3CCCCC3)cc2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.55
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PDE3B Q13370 2/20 0.54
▸ PDE3A Q14432 2/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ KCNH2 Q12809 2/20 0.48
▸ ALK Q9UM73 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ CCR6 P51684 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3452908 0.79 LMNA (0.80) HRH3LMNAMEN1KMT2APDE3B
SCHEMBL12595833 0.77 LMNA (0.50) HRH3LMNAMEN1KMT2APDE3B
SCHEMBL12595747 0.77 LMNA (0.50) HRH3LMNAMEN1KMT2APDE3B
SCHEMBL12595816 0.76 LMNA (0.51) HRH3LMNAMEN1KMT2APDE3B
SCHEMBL12692666 0.75 ALK (0.48) LMNAMEN1KMT2APDE3BPDE3A
SCHEMBL1769796 0.74 NOTUM (0.61) HRH3LMNAMEN1KMT2APDE3B
SCHEMBL13071050 0.74 NOTUM (0.61) HRH3LMNAMEN1KMT2APDE3B
SCHEMBL7277959 0.74 PDE3B (0.68) HRH3LMNAMEN1KMT2APDE3B
SCHEMBL7279874 0.74 PDE3A (0.68) HRH3LMNAMEN1KMT2APDE3B
SCHEMBL7319085 0.73 PDE3B (0.67) HRH3LMNAMEN1KMT2APDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789402-A Compounds having effects on serotonin-related systems ELI LILLY COMPANY (US) 1998-08-04 — — US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 — — US disclosed
Send feedback